SCHEMBL16009357

SCHEMBL16009357

Cc1cn2nc(Nc3cccc(N4CCN(C)CC4)c3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.47
JAK3 P52333 12/20 0.47
EGFR P00533 1/20 0.47
PTK2 Q05397 10/20 0.46
CDK2 P24941 6/20 0.46
CDK9 P50750 5/20 0.46
CCNT1 O60563 4/20 0.46
CCNA2 P20248 4/20 0.46
JAK1 P23458 1/20 0.46
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
CDK7 P50613 3/20 0.45
CCNH P51946 3/20 0.45
CCNE1 P24864 2/20 0.45
FLT3 P36888 2/20 0.45
CCNK O75909 1/20 0.43
CCND3 P30281 1/20 0.43
CDK6 Q00534 1/20 0.43
BRD4 O60885 1/20 0.43
MNAT1 P51948 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16009804 0.86 JAK2 (0.52) JAK2JAK3EGFRPTK2CDK2
SCHEMBL17968674 0.82 JAK2 (0.46) JAK2JAK3PTK2CDK2CCNA2
SCHEMBL16009359 0.77 JAK2 (0.49) JAK2JAK3EGFRPTK2CDK2
SCHEMBL25209784 0.76 CDK2 (0.57) JAK2JAK3PTK2CDK2CDK9
SCHEMBL30347186 0.76 CDK2 (0.57) JAK2JAK3PTK2CDK2CDK9
SCHEMBL16010469 0.75 JAK2 (0.41) JAK2JAK3EGFRPTK2CDK2
SCHEMBL16009268 0.73 PIK3CD (0.49) JAK2JAK3PTK2CDK2CDK9
SCHEMBL7467387 0.73 CDK2 (0.64) JAK2JAK3EGFRPTK2CDK2
SCHEMBL25157198 0.72 CDK2 (0.43) JAK2JAK3PTK2CDK2CDK9
SCHEMBL477172 0.71 KDM4E (0.54)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 JAK2 320/4885JAK3 367/4885EGFR 471/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 JAK2 320/4885JAK3 367/4885EGFR 471/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.